Chemical Properties of Terephthalic acid, ethyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C18H26O4/c1-6-21-16(19)14-7-9-15(10-8-14)17(20)22-12-13(2)11-18(3,4)5/h7-10,13H,6,11-12H2,1-5H3

InChI Key

IPPOQGBRLFZALP-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCOC(=O)c1ccc(C(=O)OCC(C)CC(C)(C)C)cc1

Molecular Weight¹

306.40

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8061		Relay (1.0) Calculated Property
ΔfusH°	33.83	kJ/mol	Joback Calculated Property
ΔvapH°	90.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-5.46		Relay (1.0) Calculated Property
logPoct/wat	4.092		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Pc	1487.29	kPa	Joback Calculated Property
Inp	[2240.00; 2240.00]
Inp	2240.00		NIST
Inp	2240.00		NIST
Tboil	621.91	K	Relay (1.0) Calculated Property
Tc	805.95	K	Relay (1.0) Calculated Property
Tfus	306.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[751.34; 833.55]	J/mol×K	[755.87; 961.27]
Cp,gas	751.34	J/mol×K	755.87	Joback Calculated Property
Cp,gas	767.98	J/mol×K	790.10	Joback Calculated Property
Cp,gas	783.40	J/mol×K	824.34	Joback Calculated Property
Cp,gas	797.62	J/mol×K	858.57	Joback Calculated Property
Cp,gas	810.70	J/mol×K	892.81	Joback Calculated Property
Cp,gas	822.66	J/mol×K	927.04	Joback Calculated Property
Cp,gas	833.55	J/mol×K	961.27	Joback Calculated Property
η	[0.0000427; 0.0014350]	Pa×s	[403.64; 755.87]
η	0.0014350	Pa×s	403.64	Joback Calculated Property
η	0.0005506	Pa×s	462.34	Joback Calculated Property
η	0.0002621	Pa×s	521.05	Joback Calculated Property
η	0.0001451	Pa×s	579.75	Joback Calculated Property
η	0.0000895	Pa×s	638.46	Joback Calculated Property
η	0.0000599	Pa×s	697.16	Joback Calculated Property
η	0.0000427	Pa×s	755.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 2,4,4-trimethylpentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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